2-(1-benzylindol-5-yl)acetic acid

C17H15NO2 — CID 71441824

IUPAC2-(1-benzylindol-5-yl)acetic acid
SMILESO=C(O)Cc1ccc2c(ccn2Cc2ccccc2)c1
InChIInChI=1S/C17H15NO2/c19-17(20)11-14-6-7-16-15(10-14)8-9-18(16)12-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,19,20)
InChIKeyIZECNPQMXDMSBB-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.32
Rot. Bonds4

About 2-(1-benzylindol-5-yl)acetic acid

2-(1-benzylindol-5-yl)acetic acid (PubChem CID 71441824) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(1-benzylindol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1-benzylindol-5-yl)acetic acid
PubChem CID71441824
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-(1-benzylindol-5-yl)acetic acid
SMILESO=C(O)Cc1ccc2c(ccn2Cc2ccccc2)c1
InChIInChI=1S/C17H15NO2/c19-17(20)11-14-6-7-16-15(10-14)8-9-18(16)12-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,19,20)
InChIKeyIZECNPQMXDMSBB-UHFFFAOYSA-N
XLogP3.32
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-benzylindol-5-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-5-(1-benzylindol-5-yl)-N-hydroxy-4-oxopent-2-enamide
CID 58460273
2-[1-(2-methylpropyl)indol-5-yl]acetic acid
CID 115106854
2-(1-benzylindol-5-yl)ethanethiol
CID 143923933
2-[(1-benzylindol-5-yl)methyl]-5-chlorobenzoic acid
CID 157427353
4-[[5-(hydroxymethyl)indol-1-yl]methyl]benzoic acid
CID 102912731
(1-benzylindol-5-yl)boronic acid
CID 134128465
2-[2-[(5-aminoindol-1-yl)methyl]phenyl]acetic acid
CID 115462296
3-(1-benzylindol-6-yl)propanoic acid
CID 54376010
2-[4-[(6-methylindol-1-yl)methyl]phenyl]acetic acid
CID 105345354
4-[1-[(4-fluorophenyl)methyl]indol-5-yl]-3-methylbut-2-enoic acid
CID 67753951
2-(1-benzylindol-7-yl)acetic acid
CID 115107342
4-[(5-chloroindol-1-yl)methyl]benzoic acid
CID 63879545

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylindol-5-yl)acetic acid?
The IUPAC name of 2-(1-benzylindol-5-yl)acetic acid (CID 71441824) is 2-(1-benzylindol-5-yl)acetic acid.
What is the SMILES notation for 2-(1-benzylindol-5-yl)acetic acid?
The canonical SMILES for 2-(1-benzylindol-5-yl)acetic acid is O=C(O)Cc1ccc2c(ccn2Cc2ccccc2)c1.
What is the InChIKey of 2-(1-benzylindol-5-yl)acetic acid?
The InChIKey is IZECNPQMXDMSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-17(20)11-14-6-7-16-15(10-14)8-9-18(16)12-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,19,20).
What are the key properties of 2-(1-benzylindol-5-yl)acetic acid?
2-(1-benzylindol-5-yl)acetic acid has a molecular weight of 265.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylindol-5-yl)acetic acid is sourced from PubChem (CID 71441824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).